General Information of the Compound
| Compound ID |
CP0962088
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| Compound Name |
(R)-2-(5-methyl-4-(octahydropyrrolo[1,2-a]pyrazine-2-carbonyl)-1H-pyrazol-1-yl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C18H20N6O2S
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| Molecular Weight |
384.465
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| Canonical SMILES |
Cc1c(C(=O)N2CCN3CCC[C@@H]3C2)cnn1-c1nc2ccsc2c(=O)[nH]1
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| InChI |
InChI=1S/C18H20N6O2S/c1-11-13(17(26)23-7-6-22-5-2-3-12(22)10-23)9-19-24(11)18-20-14-4-8-27-15(14)16(25)21-18/h4,8-9,12H,2-3,5-7,10H2,1H3,(H,20,21,25)/t12-/m1/s1
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| InChIKey |
NKCDZWPFKSJJMX-GFCCVEGCSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound